============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 21.388 4.455 10.438 -99.200 -91.000 TYR 7 0.840 24.159 4.023 22.414 -99.200 -91.000 TYR 14 0.840 18.177 11.835 24.396 -99.200 -91.000 PHE 15 1.000 21.372 10.125 19.871 -99.200 -91.000 PHE 19 1.000 13.796 7.525 15.353 -99.200 -91.000 PHE 23 1.000 17.837 11.773 16.738 -99.200 -91.000 TRP 25 1.040 22.242 16.395 14.944 -99.200 -91.000 TRP6 25 1.020 23.713 17.916 13.890 -99.200 -91.000 TYR 31 0.840 36.978 22.918 11.814 -99.200 -91.000 PHE 36 1.000 34.181 30.373 15.958 -99.200 -91.000 HIS 40 0.900 17.699 22.790 14.062 -99.200 -91.000 TYR 52 0.840 19.416 11.531 9.014 -99.200 -91.000 PHE 61 1.000 35.727 26.829 8.476 -99.200 -91.000 TRP 75 1.040 36.708 14.643 9.226 -99.200 -91.000 TRP6 75 1.020 37.369 16.472 10.595 -99.200 -91.000 TYR 83 0.840 28.587 16.018 29.638 -99.200 -91.000 HIS 104 0.900 47.384 14.531 12.716 -99.200 -91.000 HIS 108 0.900 35.940 21.640 22.692 -99.200 -91.000 HIS 110 0.900 32.309 23.446 22.183 -99.200 -91.000 TYR 113 0.840 24.012 14.591 20.300 -99.200 -91.000 PHE 127 1.000 31.583 11.409 30.923 -99.200 -91.000 HIS 128 0.900 27.090 7.342 26.451 -99.200 -91.000 PHE 129 1.000 34.948 7.777 27.500 -99.200 -91.000 HIS 132 0.900 30.682 9.608 16.976 -99.200 -91.000 TYR 146 0.840 33.252 15.007 -1.832 -99.200 -91.000 TYR 149 0.840 31.915 2.490 7.324 -99.200 -91.000 TYR 156 0.840 29.357 2.529 30.740 -99.200 -91.000 HIS 166 0.900 33.712 5.421 40.721 -99.200 -91.000